Vitas-M small molecule compound
1,3-dimethyl-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(2,3,4-trimethoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL558317
SMILES COc1ccc(c(c1OC)OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H34N4O7 MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O7/c1-29-25(34)28(26(35)30(2)27(29)36,12-18-9-10-21(37-3)24(39-5)23(18)38-4)16-31-13-17-11-19(15-31)20-7-6-8-22(33)32(20)14-17/h6-10,17,19H,11-16H2,1-5H3/t17-,19+/m0/s1InChIKey
YSIUGLOPEBEYLR-PKOBYXMFSA-NSynonyms
13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)5(234trimethoxybenzyl)pyrimidine246(1H3H5H)trione
13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(234trimethoxybenzyl)pyrimidine246(1H3H5H)trione
COc1ccc(c(c1OC)OC)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=O)N(C1=O)C
InChI=1SC28H34N4O7c12925(34)28(26(35)30(2)27(29)36121891021(373)24(395)23(18)384)163113171119(1531)2076822(33)32(20)1417h6101719H1116H215H3t1719+m0s1
MFCD01545095
ZINC000070665050
Check stock
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Check stock on Vitas-MAvailable files
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